CID 72941805

343272-52-6

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1CC(CC(=O)C1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H20O2/c1-12-7-16(10-17(19)8-12)14-3-4-15-11-18(20-2)6-5-13(15)9-14/h3-6,9,11-12,16H,7-8,10H2,1-2H3
InChIKey
JAQDUSAFXSHFAH-UHFFFAOYSA-N
Compound name
3-(6-methoxynaphthalen-2-yl)-5-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 161.8
[M+Na]+ 291.135548 168.8
[M-H]- 267.139054 169.0
[M+NH4]+ 286.180153 179.4
[M+K]+ 307.109488 164.5
[M+H-H2O]+ 251.143590 154.0
[M+HCOO]- 313.144531 180.8
[M+CH3COO]- 327.160181 200.6
[M+Na-2H]- 289.120996 165.0
[M]+ 268.14578142 160.3
[M]- 268.14687858 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.